parvaquone

Base Information

• Chemical Name: parvaquone
• CAS No.: 4042-30-2
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• Hs Code.: 2914690090
• Mol file: 4042-30-2.mol

Synonyms:Parvaquonum [Latin];Parvaquona [Spanish];1,4-Naphthalenedione,2-cyclohexyl-3-hydroxy;EINECS 223-734-5;Parvaquone;2-Cyclohexyl-3-hydroxy-[1,4]naphthochinon;2-cyclohexyl-3-hydroxynaphthalene-1,4-dione;2-cyclohexyl-3-hydroxynaphtho-1,4-quinone;2-Cyclohexyl-3-hydroxy-1,4-naphthoquinone;2-hydroxy-3-cyclohexyl-1,4-naphthoquinone;

Chemical Property of parvaquone

Chemical Property:

• Vapor Pressure: 3.73E-08mmHg at 25°C
• Melting Point: 135-136°
• Boiling Point: 429.9°Cat760mmHg
• PKA: 5.10±0.10(Predicted)
• Flash Point: 227.9°C
• PSA: 54.37000
• Density: 1.31g/cm³
• LogP: 3.45800

Purity/Quality:

99%, ^*data from raw suppliers

2-Hydroxy-3-cyclohexyl-1,4-naphthoquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of parvaquone

There total 35 articles about parvaquone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

(Z)-3-(cyclohexylmethylene)isochroman-1,4-dione → parvaquone (4042-30-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 23h; Inert atmosphere;

DOI:10.1021/op300165q

Reference yield: 76.0%

1a-cyclohexyl-1a,7a-dihydronaphth<2,3b>oxirene-2,7-dione (41245-70-9) → parvaquone (4042-30-2)

Guidance literature:

With sulfuric acid; at 20 ℃;

DOI:10.1039/c4ra09934f

Reference yield: 75.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) + 4-cyclohexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester (1539-59-9) → parvaquone (4042-30-2)

Guidance literature:

With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; oxygen; trifluoroacetic acid; In dimethyl sulfoxide; at 20 ℃; for 24h; Irradiation;

DOI:10.1039/d0gc02111c

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

cyclohexanecarbonyl peroxide

ethanol

1a-cyclohexyl-1a,7a-dihydronaphth<2,3b>oxirene-2,7-dione

Downstream raw materials:

2-(3-bromopropoxy)-3-cyclohexylnaphthalene-1,4-dione

2-((6-bromohexyl)oxy)-3-cyclohexylnaphthalene-1,4-dione

3-[(3-(cyclohexyl)-1,4-dioxonaphthalen-2-yl)oxy]propyltriphenylphosphonium bromide

6-[(3-(cyclohexyl)-1,4-dioxonaphthalen-2-yl)oxy]hexyltriphenylphosphonium bromide

Refernces

• 1、 Geisler, Heiko,Westermayr, Julia,Cseh, Klaudia,Wenisch, Dominik,Fuchs, Valentin,Harringer, Sophia,Plutzar, Sarah,Gajic, Natalie,Hejl, Michaela,Jakupec, Michael A.,Marquetand, Philipp,Kandioller, Wolfgang. "Tridentate 3-Substituted Naphthoquinone Ruthenium Arene Complexes: Synthesis, Characterization, Aqueous Behavior, and Theoretical and Biological Studies". . p. 9805 - 9819. Retrieved 2021/06/30.
• 2、 Dong, Jianyang,Liu, Yuxiu,Song, Hongjian,Wang, Qingmin,Xu, Wentao,Yue, Fuyang. "Visible-light-mediated minisci C-H alkylation of heteroarenes with 4-alkyl-1,4-dihydropyridines using O2as an oxidant". supporting information. p. 5599 - 5604. Retrieved 2020/09/21.